SCHEMBL14204718

SCHEMBL14204718

COP(=O)(OC)c1ccc(BO)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 1/20 0.40
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL914784 0.77 HKDC1 (0.53) HKDC1CA12CA1CA2CA4
SCHEMBL384926 0.75 HPGD (0.54) HKDC1CA12CA1CA2CA4
SCHEMBL11804299 0.73 ALOX15 (0.43) HKDC1CA12CA1CA2CA4
SCHEMBL2030797 0.73 TDP1 (0.42) HKDC1CA12CA1CA2CA4
SCHEMBL17923949 0.73 UTRN (0.39) HKDC1CA12CA1CA2CA4
SCHEMBL25432574 0.73 HKDC1 (0.38) HKDC1CA12CA1CA2CA4
SCHEMBL10721682 0.73 CA1 (0.52) CA12CA1CA2CA4CA5A
SCHEMBL21490302 0.72 CA1 (0.52) CA12CA1CA2CA4CA5A
SCHEMBL4734193 0.72 CA12 (0.39) HKDC1CA12CA1CA2CA4
SCHEMBL4729714 0.72 ENPP2 (0.48) HKDC1CA1CA2CA4CA5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061238-A2 PROCESSES FOR PRODUCTION OF 4-BIPHENYLYAZETIDIN-2-ONES IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-22 — — WO disclosed
Send feedback